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Re^2: temperature keyword

Pedro Silva
pedros@ufp.pt

On Mon Jan 18 '10 6:40pm, sanya wrote
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>All the temperatures are in Kelvins. Just enter the number (say, $force temp=enter_the_number_here $end
>Note that the $force group is relevant only when hessian is calculated (RUNTYP=HESSIAN, OPTIMIZE, SADPOINT; the latter two require hssend=.t.)

Not quite: the TEMP keyword is an array, so you should specify it as:

temp(1)=enter_the_1st_temperature_here,then_a_2nd_temperature_here_if you _need_it, etc.

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